Dipentyl phthalate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:131-18-0

MDL number:MFCD00041934

EINECS number:205-017-9

RTECS number:TI1930000

BRN number:1987323

PubChem number:24868029

Physical property data

1. Density (g/mL, 20℃): 1.025

2. Flash point (℃): >100

3. Melting point (℃): <-55

4. Boiling point (ºC): 342℃

5. Relative density (20℃, 4℃): 1.0230²⁵

6. Relative density (25℃, 4℃): 1.0132³⁵

7. Refractive index at room temperature (n²⁰): 1.4885

8. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -9981.4

9. Gas phase standard claimed heat (enthalpy) (kJ·mol ^-1): -817.6

10. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -9874.7924.3

11. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -842.6

Toxicological data

1. Reproductive toxicity: Rat (male, before mating) oral TDLO: 6600mg/kg/3D

Rat (male, before mating) oral TDLO: 2206mg/kg/1D

Oral TDLO of rat (male, before mating): 2gm/kg/1D

Oral TDLO of mouse (male, before mating): 316gm/kg/15W

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 86.86

2. Molar volume (cm³/mol): 397.2

3. Isotonic specific volume (90.2K): 735.2

4. Surface tension (dyne/cm): 37.4

5. Polarizability (10^-24cm³): 34.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 12

5. Number of tautomers: none

6. Topological moleculesSexual surface area 52.6

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 295

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

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